N-[3-(1H-benzimidazol-2-yl)propyl]-3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-bromo-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-bromo-1,3-diketo-isoindolin-2-yl)propionamide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCCNC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCCNC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4O3/c22-13-7-8-14-15(12-13)21(29)26(20(14)28)11-9-19(27)23-10-3-6-18-24-16-4-1-2-5-17(16)25-18/h1-2,4-5,7-8,12H,3,6,9-11H2,(H,23,27)(H,24,25)